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Substance Name: 5-(3-((2-(Hexadecyloxy)-5-((methylamino)sulphonyl)phenyl)amino)-1,3-dioxopropyl)-2-methoxybenzenesulphonic acid
RN: 66096-03-5
InChIKey: LBTKPLRRQHGCRH-UHFFFAOYSA-N

Molecular Formula

  • C33-H50-N2-O9-S2

Molecular Weight

  • 682.895
 
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Names and Synonyms

Synonym

  • EINECS 266-139-6

Systematic Name

  • 5-(3-((2-(Hexadecyloxy)-5-((methylamino)sulphonyl)phenyl)amino)-1,3-dioxopropyl)-2-methoxybenzenesulphonic acid

Registry Numbers

CAS Registry Number

  • 66096-03-5

System Generated Number

  • 0066096035

Structure Descriptors

InChI

1S/C33H50N2O9S2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-44-30-21-19-27(45(38,39)34-2)24-28(30)35-33(37)25-29(36)26-18-20-31(43-3)32(23-26)46(40,41)42/h18-21,23-24,34H,4-17,22,25H2,1-3H3,(H,35,37)(H,40,41,42)

InChIKey

LBTKPLRRQHGCRH-UHFFFAOYSA-N

Smiles

CCCCCCCCCCCCCCCCOc1ccc(cc1NC(=O)CC(=O)c2ccc(c(c2)S(=O)(=O)O)OC)S(=O)(=O)NC